2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole

C16H10F5NO2 — CID 14853255

IUPAC2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(OC(F)(F)F)cc2)CO1
InChIInChI=1S/C16H10F5NO2/c17-11-2-1-3-12(18)14(11)15-22-13(8-23-15)9-4-6-10(7-5-9)24-16(19,20)21/h1-7,13H,8H2
InChIKeyRUWJQZCCJDFTJT-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.38
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 14853255) has the molecular formula C16H10F5NO2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID14853255
Molecular FormulaC16H10F5NO2
Molecular Weight343.25 g/mol
Exact Mass343.06
IUPAC Name2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(OC(F)(F)F)cc2)CO1
InChIInChI=1S/C16H10F5NO2/c17-11-2-1-3-12(18)14(11)15-22-13(8-23-15)9-4-6-10(7-5-9)24-16(19,20)21/h1-7,13H,8H2
InChIKeyRUWJQZCCJDFTJT-UHFFFAOYSA-N
XLogP4.38
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole (CID 14853255) is 2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(OC(F)(F)F)cc2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RUWJQZCCJDFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5NO2/c17-11-2-1-3-12(18)14(11)15-22-13(8-23-15)9-4-6-10(7-5-9)24-16(19,20)21/h1-7,13H,8H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 343.25 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).